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Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

Frontiers in astronomy and space sciences, 2021-03, Vol.8

2021

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A global ab initio potential energy surface for the X 2A′ ground state of the Si + OH → SiO + H reaction

The Journal of chemical physics, 2013-11, Vol.139 (20)

2013

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Ground state analytical ab initio intermolecular potential for the Cl2-water system

The Journal of chemical physics, 2015-04, Vol.142 (14)

2015

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Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

Physical review letters, 2023-12, Vol.131 (23), p.238001-238001, Article 238001

2023

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Time-Dependent Quantum Wave Packet Study of the Si + OH arrow right SiO + H Reaction: Cross Sections and Rate Constants

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1675-1685

2017

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The Intricate Dynamics of the Si(3P) + OH(X2Π) Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-09, Vol.123 (36), p.7683-7692

2019

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Time-Dependent Quantum Wave Packet Study of the Si + OH → SiO + H Reaction: Cross Sections and Rate Constants

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1675-1685

2017

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Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-12, Vol.120 (51), p.10141-10149

2016

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Quasi-classical trajectory calculations of cross sections and rate constants for the Si+OH→SiO+H reaction

Chemical physics letters, 2014-08, Vol.610-611, p.335-340

2014

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A global ab initio potential energy surface for the X 2 A ′ ground state of the Si + OH → SiO + H reaction

The Journal of chemical physics, 2013-11, Vol.139 (20)

2013

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Quantum and classical non-adiabatic dynamics of Li2+Ne photodissociation

Journal of physics. B, Atomic, molecular, and optical physics, 2015-01, Vol.48

2015

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Quantum and classical non-adiabatic dynamics of ... photodissociation

Journal of physics. B, Atomic, molecular, and optical physics, 2015-01, Vol.48 (2), p.1-11

2015

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Quantum and classical non-adiabatic dynamics of Li Ne photodissociation

Journal of physics. B, Atomic, molecular, and optical physics, 2015-01, Vol.48 (2), p.25202

2015

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Molecular Simulations of Halomethanes at the Air/Ice Interface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-10, Vol.119 (39), p.10052-10059

2015

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A global ab initio potential energy surface for the X{sup 2}A{sup ′} ground state of the Si + OH → SiO + H reaction

The Journal of chemical physics, 2013-11, Vol.139 (20)

2013

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Ground state analytical ab initio intermolecular potential for the Cl(2)-water system

The Journal of chemical physics, 2015-04, Vol.142 (14), p.144310-144310

2015

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Multiconfiguration time-dependent Hartree and classical dynamics studies of the photodissociation of HF and HCl molecules adsorbed on ice:Extension to three dimensions

The Journal of chemical physics, 2009-11, Vol.131 (19), p.194303-194303-8

2009

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A global ab initio potential energy surface for the X2A' ground state of the Si + OH → SiO + H reaction

The Journal of chemical physics, 2013-11, Vol.139 (20), p.204305-204305

2013

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Erratum: “Classical and quantum studies of the photodissociation of a HX (X=Cl, F) molecule adsorbed on ice” [J. Chem. Phys. 127, 164717 (2007)]

The Journal of chemical physics, 2009-07, Vol.131 (4)

2009

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Wave packet study of the UV photodissociation of the Ar2HBr complex

The Journal of chemical physics, 2005-05, Vol.122

2005

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Photodissociation of a HCl molecule adsorbed on ice

Chemical physics letters, 2005-04, Vol.406 (1), p.202-209

2005

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Photodissociation of a HCl molecule adsorbed on ice at T=210K

Surface science, 2007-07, Vol.601 (14), p.3034-3041

2007

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Quasi-classical trajectory study of Si+O2-->SiO+O reaction

The Journal of chemical physics, 2005-08, Vol.123 (8), p.084306-084306

2005

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Photodissociation of the ArHBr complex investigated with the multiconfiguration time-dependent Hartree approach

The Journal of chemical physics, 2003-01, Vol.118 (2), p.600-609

2003

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Spin–orbit branching in the photodissociation of HBr: Time-independent, time-dependent, and semiclassical calculations

The Journal of chemical physics, 1997-07, Vol.107 (1), p.70-82

1997

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Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

A global ab initio potential energy surface for the X 2A′ ground state of the Si + OH → SiO + H reaction

Ground state analytical ab initio intermolecular potential for the Cl2-water system

Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

Time-Dependent Quantum Wave Packet Study of the Si + OH arrow right SiO + H Reaction: Cross Sections and Rate Constants

The Intricate Dynamics of the Si(3P) + OH(X2Π) Reaction

Time-Dependent Quantum Wave Packet Study of the Si + OH → SiO + H Reaction: Cross Sections and Rate Constants

Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study

Quasi-classical trajectory calculations of cross sections and rate constants for the Si+OH→SiO+H reaction

A global ab initio potential energy surface for the X 2 A ′ ground state of the Si + OH → SiO + H reaction

Quantum and classical non-adiabatic dynamics of Li2+Ne photodissociation

Quantum and classical non-adiabatic dynamics of ... photodissociation

Quantum and classical non-adiabatic dynamics of Li Ne photodissociation

Molecular Simulations of Halomethanes at the Air/Ice Interface

A global ab initio potential energy surface for the X{sup 2}A{sup ′} ground state of the Si + OH → SiO + H reaction

Ground state analytical ab initio intermolecular potential for the Cl(2)-water system

Multiconfiguration time-dependent Hartree and classical dynamics studies of the photodissociation of HF and HCl molecules adsorbed on ice:Extension to three dimensions

A global ab initio potential energy surface for the X2A' ground state of the Si + OH → SiO + H reaction

Erratum: “Classical and quantum studies of the photodissociation of a HX (X=Cl, F) molecule adsorbed on ice” [J. Chem. Phys. 127, 164717 (2007)]

Wave packet study of the UV photodissociation of the Ar2HBr complex

Photodissociation of a HCl molecule adsorbed on ice

Photodissociation of a HCl molecule adsorbed on ice at T=210K

Quasi-classical trajectory study of Si+O2-->SiO+O reaction

Photodissociation of the ArHBr complex investigated with the multiconfiguration time-dependent Hartree approach

Spin–orbit branching in the photodissociation of HBr: Time-independent, time-dependent, and semiclassical calculations

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